SCHEMBL7168442

SCHEMBL7168442

NCC(=O)c1ccc([C](c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
KMO O15229 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2407719 0.80 L3MBTL1 (0.46) ALDH1A1POLBL3MBTL1ALOX15
SCHEMBL2724706 0.79 SLC6A2 (0.50) ALDH1A1POLBMAPTL3MBTL1ALOX15
SCHEMBL747018 0.76 KMO (0.59) HSD11B1KMOHDAC3HDAC4HDAC1
SCHEMBL30022982 0.76 KMO (0.59) HSD11B1KMOHDAC3HDAC4HDAC1
SCHEMBL14843883 0.76 KMO (0.40) KMOCES2CES1ALDH1A1POLB
SCHEMBL11340758 0.75 NPSR1 (0.58) HDAC1HDAC8HDAC6ALDH1A1POLB
SCHEMBL2800230 0.75 SLC7A5 (0.46) KMOHDAC8
Bromide SCHEMBL1444256 0.74 KMO (0.57) HSD11B1KMOHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL745592 0.74 KMO (0.60) HSD11B1KMOHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL30062390 0.74 KMO (0.60) HSD11B1KMOHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068827-A1 METHOD FOR PREPARING LIRAGLUTIDE BACHEM HOLDING AG (CH) 2024-04-04 WO disclosed
CN-110294800-A A kind of preparation method of Suo Malu peptide 齐鲁制药有限公司 2019-10-01 CN disclosed
CN-104277097-B Method for preparing synthetic peptide antigen 2700 of swine O-type foot and mouth disease through solid-phase fragment process 申联生物医药(上海)股份有限公司 2017-05-17 CN disclosed
US-6569993-B1 Generation of cyclic peptides; generate peptide containing protective groups, remove protective groups, separate and recover peptides AVENTIS PHARMA S.A. (FR) 2003-05-27 US disclosed
EP-1093458-A4 PROCESS FOR THE PREPARATION OF RESIN-BOUND CYCLIC PEPTIDES AVENTIS PHARM PROD INC (US) 2001-07-18 EP disclosed
EP-1093458-A1 PROCESS FOR THE PREPARATION OF RESIN-BOUND CYCLIC PEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2001-04-25 EP disclosed
WO-1999052933-A1 PROCESS FOR THE PREPARATION OF RESIN-BOUND CYCLIC PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-10-21 WO disclosed